MMsINC Database Search


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MMsINC code: MMs02672521

Type: Neutral
Formula: C₁₀H₁₀O₄S₂

SMILES:

S1(=O)(=O)Cc2c(C1)cc1c(CS(=O)(=O)C1)c2

InChI:

InChI=1/C10H10O4S2/c11-15(12)3-7-1-8-4-16(13,14)6-10(8)2-9(7)5-15/h1-2H,3-6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1307 kcal/mol

Physical Properties
Molecular Weight: 258.318 g/mol	logS: -1.79914	SlogP: 1.609	Reactive groups: 0

Topological Properties
Globularity: 0.0711325	Sterimol/B1: 2.4877	Sterimol/B2: 2.56502	Sterimol/B3: 3.78031
Sterimol/B4: 5.28392	Sterimol/L: 13.4038

Surface and Volume Properties
Accessible surface: 413.706	Positive charged surface: 221.236	Negative charged surface: 192.47	Volume: 201.375
Hydrophobic surface: 257.941	Hydrophilic surface: 155.765

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.